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Information card for entry 2228430
Preview
| Coordinates | 2228430.cif |
|---|---|
| Structure factors | 2228430.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~3~-biphenyl-3,4'-dicarboxylato- κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>- imidazo[4,5-<i>f</i>][1,10]phenanthroline- κ^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)] |
|---|---|
| Formula | C27 H16 Mn N4 O4 |
| Calculated formula | C27 H16 Mn N4 O4 |
| SMILES | [Mn]1234([n]5cccc6c7c(c8ccc[n]1c8c56)[nH]cn7)[O]=C(c1ccc(c5cccc(C(=O)[O-])c5)cc1)O[Mn]1([n]5cccc6c7c(c8ccc[n]1c8c56)[nH]cn7)[O]=C(c1ccc(c5cccc(C6=[O][Mn]78(O6)([O]=C(c6ccc(c9cccc(C(=[O]3)O4)c9)cc6)O[Mn]3([n]4cccc6c9c(c%10ccc[n]3c%10c46)[nH]cn9)[O]=C(c3ccc(c4cccc(C(=O)[O-])c4)cc3)O8)[n]3cccc4c6c(c8ccc[n]7c8c34)[nH]cn6)c5)cc1)O2 |
| Title of publication | Poly[(μ~3~-biphenyl-3,4'-dicarboxylato-κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)] |
| Authors of publication | Wang, Fu-Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1677 |
| a | 8.0634 ± 0.0013 Å |
| b | 11.705 ± 0.002 Å |
| c | 22.807 ± 0.004 Å |
| α | 90° |
| β | 94.307 ± 0.002° |
| γ | 90° |
| Cell volume | 2146.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1147 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228430.cif 2228430.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228430.cif 2228430.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228430.cif 2228430.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228430.cif 2228430.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228430.cif 2228430.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228430.cif 2228430.hkl |
| 5786 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228422, 2228423, 2228424, 2228425, 2228426, 2228427, 2228428, 2228429, 2228430, 2228431 via cif-deposit CGI script. |
2228430.cif |
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